Original Research Article
Analytical chemistry
Mohammad Reza Aflatoonian; Somayeh Tajik; Behnaz Aflatoonian; Mehri-Saddat Ekrami-Kakhki; Reza Alizadeh
Abstract
Electrochemical behaviors of epinephrine and acetylcholine were investigated, using cyclic voltammetry, on the Ag-ZnO modified screen-printed electrode (Ag-ZnO/SPE). Ag-ZnO nanoplates showed excellent electrocatalytic activity toward the oxidation of epinephrine and acetylcholine compared with bare SPE ...
Read More
Electrochemical behaviors of epinephrine and acetylcholine were investigated, using cyclic voltammetry, on the Ag-ZnO modified screen-printed electrode (Ag-ZnO/SPE). Ag-ZnO nanoplates showed excellent electrocatalytic activity toward the oxidation of epinephrine and acetylcholine compared with bare SPE in 0.1 M PBS. Under the optimized experimental conditions, a linear response obtained in the range of 0.13 to 450.00 μM with detection limit of 0.04 μM for epinephrine. Ag-ZnO/SPE exhibits good stability, reproducibility and repeatability, and the method has been successfully applied for detection of epinephrine and acetylcholine in their pharmaceutical and biological samples with satisfactory recovery.
Original Research Article
Materials
Unesco Chakma; Ajoy Kumer; Kamal Bikash Chakma; Md. Tawhidul Islam; Debashis Howlader; Rasha M. K. Mohamed
Abstract
Electronic band structures, the total density of state, the partial density of state, and optical properties were investigated using first principle method for SrPbO3 though Generalized Gradient Approximation (GGA) based on the Perdew–Burke–Ernzerhof (PBE0). The band gap was recorded at ...
Read More
Electronic band structures, the total density of state, the partial density of state, and optical properties were investigated using first principle method for SrPbO3 though Generalized Gradient Approximation (GGA) based on the Perdew–Burke–Ernzerhof (PBE0). The band gap was recorded at 0.768 eV. The electron doping happens between similar electronic localized states of atoms in crystals where the section of the quality edge and electron quality of that is with thermally activated. The density of state and partial density of state were simulated for evaluating the nature of 5s, 4d for Sr, 6s, 4f, 5d, 6p for Pb and 2s, 2p for O atom for SrPbO3 orbital travelling with the maximum valance band (MVB) to the minimum conduction band (MCB) to explain the transition of electrons due to hybridization. The optical properties, for instance, absorption, reflection, refractive index, conductivity, dielectric function, and loss function, were calculated, which can account for the superior absorption of the visible light. The key point of this research is to determine the activity on electronics structure and optical properties for Fe doped by 6%. From the band gap and optical properties, SrPb0.94Fe0.06O3 can give more conductivity than that of SrPbO3, showing as a superconductor.
Original Research Article
Organic Chemistry
Reza Tayebee; Ali Gohari
Abstract
The new findings concerning synthesis of some 2, 4, 5-triaryl-1H-imidazoles is disclosed in the absence of any catalyst. Results indicated that by enhancing the amount of ammonium acetate, an obvious acceleration can be observed in the reaction progress. It is believed that ammonium acetate should be ...
Read More
The new findings concerning synthesis of some 2, 4, 5-triaryl-1H-imidazoles is disclosed in the absence of any catalyst. Results indicated that by enhancing the amount of ammonium acetate, an obvious acceleration can be observed in the reaction progress. It is believed that ammonium acetate should be converted to ammonia and acetic acid during the reaction and the produced acid can catalyze the reaction progress. We believe that the observed efficiency for the previously reported catalytic systems has been mainly due to the presence of high molar ratio of ammonium acetate in the reaction medium and presence of auxiliary catalyst only improved the yield%.
Original Research Article
Inorganic chemistry
Fatemeh Dashti Rahmatabadi; Roya Ranjineh Khojasteh; Hassan Kabiri Fard; Fariba Tadayon
Abstract
The tripodalheptadentate Schiff base ligand, C21H27N7, was derived from pyrrole-2-carboxaldehyde with tris(2-aminoethyl)amine (tren) and its complexes with Cd(II), Co(II), Mn(II) and Ni(II) metal ions have been synthesized. The Schiff base and its metal complexes have been identified by IR, UV-Vis, 1H-NMR, ...
Read More
The tripodalheptadentate Schiff base ligand, C21H27N7, was derived from pyrrole-2-carboxaldehyde with tris(2-aminoethyl)amine (tren) and its complexes with Cd(II), Co(II), Mn(II) and Ni(II) metal ions have been synthesized. The Schiff base and its metal complexes have been identified by IR, UV-Vis, 1H-NMR, 13C-NMR spectroscopy, elemental analysis and thermo gravimetric analysis (TGA). According to the spectroscopic and elemental analyses data, it was found that the Schiff base was coordinated to the metal ions as a potentially heptadentate ligand. All compounds showed antibacterial properties against the gram-positive bacteria; Bacillus cereus, Staphylococcus aureus, and gram-negative bacteria; Pseudomonas aeruginosa, Escherichia coli by using disc diffusion and micro-broth dilution methods. Also, the metal complexes showed a greater inhibitory effect than their individual ligand. Bacillus cereus was the most susceptible bacterial species to Co(II) complex while Escherichia coli required a relatively higher minimum inhibition concentration of Mn(II) complex.
Original Research Article
Nanochemistry
Maryam Afshar; Roya Ranjineh khojasteh; Roya Ahmadi
Abstract
The present study aimed to assess the adsorption of Lomustin on the single-walled carbon nanotube which has been examined using Density Functional Theory (DFT), agent in a solvent phase (water) at the B3LYP/6-31G (d) theoretical level. Initially, the structures of Lomustin, carbon nanotube, and Lomustin ...
Read More
The present study aimed to assess the adsorption of Lomustin on the single-walled carbon nanotube which has been examined using Density Functional Theory (DFT), agent in a solvent phase (water) at the B3LYP/6-31G (d) theoretical level. Initially, the structures of Lomustin, carbon nanotube, and Lomustin complexes with carbon nanotubes were designed in Gauss View in three different conformers and were optimized geometrically, on which IR and frontier molecular orbital computations were carried out. Adsorption energy values, Gibbs free energy changes (ΔGad), adsorption enthalpy changes (ΔHad), and equilibrium thermodynamic constants were estimated. The results showed that adsorption process was spontaneous, exothermic and non-equilibrium. The values of specific heat capacity and adsorption enthalpy indicate that this nanostructure can be used to build new thermal sensors to measure Lomustin. The results of molecule orbitals estimations showed that energy gap, after drug absorption on the nanotube surface, decreased significantly and the values of chemical hardness and dipole moment were studied after the interaction of drug with adsorbent and the results showed that drug solubility and reactivity, after adsorption on carbon nanotubes, increased significantly. According to the obtained results for adsorption of Lomustin, this nanostructure can be used as a sensing material in building new electrochemical sensors to measure this drug.
Original Research Article
eluvation of methodologies
Saeed Hayati; Reza Yazdani; Mohsen Esmaeili; Shabnam Kazemi; Seyed Ashkan Tabibzadeh Dezfuli
Abstract
Background and purpose: Renal colic (RC) is observed in the urinary system and known with sudden and serious pain. Various analgesics are usually used for alleviating pain in the emergency department. This study compared the effect of Propofol with Fentanyl in controlling acute RC of patients admitted ...
Read More
Background and purpose: Renal colic (RC) is observed in the urinary system and known with sudden and serious pain. Various analgesics are usually used for alleviating pain in the emergency department. This study compared the effect of Propofol with Fentanyl in controlling acute RC of patients admitted to the hospital. Methods: In this study, 150 patients referred to Shahid Mohammadi Hospital (Bandar Abbas-Iran) for the treatment of RC were selected. The basal pain values of the patients were investigated by the Visual Analogue Scale (VAS) that were in range from 0 up to 10 at the 0th, (immediately before drug administration), 15th, and 30th minutes. The zero value shows lack of pain and highest value (10) means the severe pain. Results: The results showed that VAS value was significantly higher in VAS0 compared to VAS10 and VAS30 for all the groups (P<0.05). The results also showed a significant difference between Morphine, Propofol and Fentanyl for VAS10 and VAS30 (P<0.05). The results showed that values for VAS were 3.66, 1.19 and 5.05 for Morphine, Fentanyl and Propofol groups, respectively. The values for VAS30 were 2.85, 1.19 and 3.52 for Morphine, Fentanyl and Propofol groups, respectively. The lowest value was observed for Fentanyl and the highest value was observed in Propofol group for VAS10 and VAS30. Conclusion: The best response was observed in Fentanyl group and it can be recommended using Fentanyl for controlling acute renal colic and its hydronephrosis in patients admitted to the hospital.
Original Research Article
Organic Chemistry
Mohammad Reza Aflatoonian; Somayeh Tajik; Mehri-Saddat Ekrami-Kakhki; Behnaz Aflatoonian; Hadi Beitollai
Abstract
The present study designed an electro-chemical instrument with high sensitivity and selectivity on the basis of a SPE modified with La+3/Co3O4 nano-cubes in order to analyze vitamin B9. It was confirmed that this sensor possesses very good electron-moderating behaviors to oxidize vitamin B9 in a 0.1 ...
Read More
The present study designed an electro-chemical instrument with high sensitivity and selectivity on the basis of a SPE modified with La+3/Co3O4 nano-cubes in order to analyze vitamin B9. It was confirmed that this sensor possesses very good electron-moderating behaviors to oxidize vitamin B9 in a 0.1 M phosphate buffer solution (PBS) (pH=7.0). In addition, according to optimal conditions (pH=7.0), a potential around 110 mV less positive than the one in the un-modified electrodes is required for vitamin B9 oxidation at this electrode surface. This technique limit of determination for vitamin B9 has been estimated to be 0.3 μM (S/N = 3). Responses have been linear in concentrations range between 1.0 and 600.0 μM. The modified electrode has been applied to detect vitamin B9 in real specimens, which was accompanied by acceptable outputs. Experiments showed that La+3/Co3O4 nano-cubes will be valuable electrode materials providing a high ratio of surface to volume that enhances sensitivity. The study introduces a novel sensor with simpleness, quickness, sensitivity, and affordability features to quantify vitamin B9.
Original Research Article
Physical chemistry
Nima Novin; Abolghasem Shameli; Ebrahim Balali
Abstract
The aim of the study is to investigate sweeting process of sour gas by dynamic simulation of monoethanolamine (MEA) molecule. In the present paper using molecular dynamic simulation, the interaction of sour gas mixture included methane, ethane and H2S with MEA as absorption was also investigated the ...
Read More
The aim of the study is to investigate sweeting process of sour gas by dynamic simulation of monoethanolamine (MEA) molecule. In the present paper using molecular dynamic simulation, the interaction of sour gas mixture included methane, ethane and H2S with MEA as absorption was also investigated the quantum method DFT B3LYP 6-311 (+) G** was used for electric charge calculation. The simulation results confirmed that the tendency of the H2S molecule is to be absorbed to amine nitrogen and oxygen hydroxyl group in MEA. No tendency for strong interaction between sulfur atoms of H2S molecule and hydrogen of amine or hydroxyl groups was observed. The investigation of changing distance between the hydrogen of H2S and nitrogen/oxygen of MEA confirmed a stable between hydrogen atoms of H2S and nitrogen/oxygen atoms in MEA. Also the investigation of distance changing show movement of hydrogen atoms of H2S molecule which interacted with MEA molecule in the time frame of the simulation. This study was observed that after absorption of H2S molecule by MEA molecules sour of them made the bridge for connection of MEA molecules with each other. Actually H2S molecules after interact with MEA molecules used addition their free hydrogen forinteraction and Making Bridge. Finally a structure of some MEA molecules are joined together, which are stable up to end of the simulation.
Original Research Article
Catalyst
Sami Sajjadifar; Issa Amini; Ghobad Mansouri; Sattar Alimohammadi
Abstract
In this work, an efficient and new Fe3O4@APTES@isatin-SO3Hwas synthesized through immobilization of isatin sulfonic acid on silica modified Fe3O4 nanoparticles. The synthesizedFe3O4@APTES@isatin-SO3Hmagnetic nanoparticles (MNPs) were characterized using the energy dispersive X-ray spectroscopy (EDX), ...
Read More
In this work, an efficient and new Fe3O4@APTES@isatin-SO3Hwas synthesized through immobilization of isatin sulfonic acid on silica modified Fe3O4 nanoparticles. The synthesizedFe3O4@APTES@isatin-SO3Hmagnetic nanoparticles (MNPs) were characterized using the energy dispersive X-ray spectroscopy (EDX), Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), vibrating sample magnetometer (VSM), X-ray diffraction (XRD), and thermogravimetric(TGA) analysis. The Fe3O4@APTES@isatin-SO3HMNPs performed efficient catalytic activity as a magnetically recyclable heterogeneous catalyst for one-pot, condensation reaction of 1,2-dicarbonyl compounds and o-phenylen diamines in ethanol at room temperature to afford quinoxaline derivatives.
Review Article
Methematical Chemistry
Abdul Qudair Baig; Muhammad Naeem; Wei Gao; Jia-Bao Liu
Abstract
Graph theory plays a vital role in modeling and designing any chemical structure or chemical network. Chemical graph theory helps to understand the molecular structural properties of a molecular graph. The molecular graph is a graph consisting of atoms called vertices and the chemical bond between atoms ...
Read More
Graph theory plays a vital role in modeling and designing any chemical structure or chemical network. Chemical graph theory helps to understand the molecular structural properties of a molecular graph. The molecular graph is a graph consisting of atoms called vertices and the chemical bond between atoms called edges. In this paper, we have computed the various types of degree-based fifth M-Zagreb indices, general fifth M-Zagreb indices, fifth hyper-M-Zagreb indices, general fifth M1-Zagreb polynomial, general fifth M2-Zagreb polynomial, fifth M1-Zagreb polynomial and fifth M2-Zagreb polynomial, fifth hyper-M1-Zagreb polynomial, fifth hyper-M2-Zagreb polynomial and fifth M3-Zagreb index and their polynomials of a molecular graph namely carbon graphite denoted by CG(m,n) for t-levels.
Original Research Article
Methematical Chemistry
Murat Cancan; Süleyman Ediz; Mohammad Reza Farahani
Abstract
Topological indices are important tools to modeling chemical properties of molecules. ve-degree based atom-bond connectivity, sum-connectivity, geometric-arithmetic, and harmonic indices are defined as their corresponding classical degree based counterparts recently in chemical graph theory. In this ...
Read More
Topological indices are important tools to modeling chemical properties of molecules. ve-degree based atom-bond connectivity, sum-connectivity, geometric-arithmetic, and harmonic indices are defined as their corresponding classical degree based counterparts recently in chemical graph theory. In this study we investigate ve-degree atom-bond connectivity, sum-connectivity, geometric-arithmetic, and harmonic topological properties of copper oxide.We calculate exact values of these novel topological indices for copper oxide and give closed formulas.
